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BioLiP Library

PDB CCD ID: C8A
Number of entries in BioLiP: 1
Chemical formula: C14 H17 N O6 P2
InChI: InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
InChIKey: UUWAWXLKQDUPIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O
CACTVS 3.385O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O
ACDLabs 12.01c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
Name:{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
ChEMBL: CHEMBL198013
ZINC: ZINC000013673771
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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